2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide

C13H21N3O3S — CID 62975887

IUPAC2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)C2CC2)c(N)c1
InChIInChI=1S/C13H21N3O3S/c1-16(10-3-4-10)8-7-15-20(17,18)13-6-5-11(19-2)9-12(13)14/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3
InChIKeyPJDPDRPKJGKAAM-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.65
Rot. Bonds7

About 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 62975887) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
PubChem CID62975887
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)C2CC2)c(N)c1
InChIInChI=1S/C13H21N3O3S/c1-16(10-3-4-10)8-7-15-20(17,18)13-6-5-11(19-2)9-12(13)14/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3
InChIKeyPJDPDRPKJGKAAM-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide (CID 62975887) is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCN(C)C2CC2)c(N)c1.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is PJDPDRPKJGKAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(10-3-4-10)8-7-15-20(17,18)13-6-5-11(19-2)9-12(13)14/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 62975887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).